2-(4-fluorophenyl)-5-(trideuteriomethyl)-4-(trifluoromethyl)pyridine

C13H9F4N — CID 169301199

IUPAC2-(4-fluorophenyl)-5-(trideuteriomethyl)-4-(trifluoromethyl)pyridine
SMILES[2H]C([2H])([2H])c1cnc(-c2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C13H9F4N/c1-8-7-18-12(6-11(8)13(15,16)17)9-2-4-10(14)5-3-9/h2-7H,1H3/i1D3
InChIKeyXCIWWHMIXSZZPL-FIBGUPNXSA-N
MW258.23 g/mol
LogP4.21
Rot. Bonds2

About 2-(4-fluorophenyl)-5-(trideuteriomethyl)-4-(trifluoromethyl)pyridine

2-(4-fluorophenyl)-5-(trideuteriomethyl)-4-(trifluoromethyl)pyridine (PubChem CID 169301199) has the molecular formula C13H9F4N and a molecular weight of 258.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(trideuteriomethyl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(trideuteriomethyl)-4-(trifluoromethyl)pyridine
PubChem CID169301199
Molecular FormulaC13H9F4N
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC Name2-(4-fluorophenyl)-5-(trideuteriomethyl)-4-(trifluoromethyl)pyridine
SMILES[2H]C([2H])([2H])c1cnc(-c2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C13H9F4N/c1-8-7-18-12(6-11(8)13(15,16)17)9-2-4-10(14)5-3-9/h2-7H,1H3/i1D3
InChIKeyXCIWWHMIXSZZPL-FIBGUPNXSA-N
XLogP4.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)-4-propan-2-yl-5-(trideuteriomethyl)pyridine
CID 169299410
[6-(4-fluorophenyl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane
CID 156657586
[6-(4-fluorophenyl)-4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 97058158
5-(4-fluorophenyl)-4-methyl-2-(4-methylphenyl)pyridine
CID 142308493
5-methyl-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-4-(trifluoromethyl)pyridine
CID 118857285
1,6-bis(4-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29090924
2-[3,4-bis(trifluoromethyl)phenyl]-5-(trideuteriomethyl)pyridine
CID 168823065
5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine
CID 130181966
1-[6-(4-fluorophenyl)-4-(trifluoromethyl)pyridazin-3-yl]ethanone
CID 125456636
2-[3-(4-fluorophenyl)-4-methylphenyl]-4,5-dimethylpyridine
CID 170284625
6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 11097920
5-(4-fluorophenyl)-4-methyl-2-(4-phenylphenyl)pyridine
CID 142322042

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(trideuteriomethyl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-fluorophenyl)-5-(trideuteriomethyl)-4-(trifluoromethyl)pyridine (CID 169301199) is 2-(4-fluorophenyl)-5-(trideuteriomethyl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(trideuteriomethyl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-5-(trideuteriomethyl)-4-(trifluoromethyl)pyridine is [2H]C([2H])([2H])c1cnc(-c2ccc(F)cc2)cc1C(F)(F)F.
What is the InChIKey of 2-(4-fluorophenyl)-5-(trideuteriomethyl)-4-(trifluoromethyl)pyridine?
The InChIKey is XCIWWHMIXSZZPL-FIBGUPNXSA-N. The full InChI is InChI=1S/C13H9F4N/c1-8-7-18-12(6-11(8)13(15,16)17)9-2-4-10(14)5-3-9/h2-7H,1H3/i1D3.
What are the key properties of 2-(4-fluorophenyl)-5-(trideuteriomethyl)-4-(trifluoromethyl)pyridine?
2-(4-fluorophenyl)-5-(trideuteriomethyl)-4-(trifluoromethyl)pyridine has a molecular weight of 258.23 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(trideuteriomethyl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 169301199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).